Glycoside
GD022177
Name:
NoneFormula:
C21H22O6N3ClSSmiles:
Cc1noc(C)c1-c1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
Cc1noc(C)c1-c1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 467.93 | Num_heavy_atoms: | 31 |
| TPSA: | 141.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD15071
Formula: C15H12ON3ClS
Smiles:
Cc1noc(C)c1-c1nnc(Cc2ccccc2Cl)s1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.79 | Num_heavy_atoms: | 20 |
| TPSA: | 51.81 | NumAromaticRings: | 3 |
